Browse
Submit Data
Databases
API
Help

Dataset Information

26 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Laboratory Operando XAS Study of Sodium Iron Titanite Cathode in the Li-Ion Half-Cell.

ABSTRACT: Electrochemical characterization of the novel sodium iron titanate Na_0.9Fe_0.45Ti_1.55O₄ was performed upon cycling in the Li-ion half-cell. The material exhibited stable cycling in the voltage range 2-4.5 V, and the number of alkali ions extracted per formula unit was approximately half of the Na stoichiometry value. Using laboratory X-ray absorption spectrometry, we measured operando Fe K-edge X-ray absorption spectra in the first 10 charge-discharge cycles and quantified the portion of charge associated with the transition metal redox reaction. Although 3d metals are commonly accepted redox-active centers in the intercalation process, we found that in all cycles the amount of oxidized and reduced Fe ions was almost 20% less than the total number of transferred electrons. Using density functional theory (DFT) simulations, we show that part of the reversible capacity is related to the redox reaction on oxygen ions.

SUBMITTER: Shapovalov V

PROVIDER: S-EPMC7826646 | biostudies-literature | 2021 Jan

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Laboratory Operando XAS Study of Sodium Iron Titanite Cathode in the Li-Ion Half-Cell.

Shapovalov Victor V Guda Alexander A Butova Vera V Shukaev Igor I Soldatov Alexander A

Nanomaterials (Basel, Switzerland) 20210109 1

Electrochemical characterization of the novel sodium iron titanate Na0.9Fe0.45Ti1.55O4 was performed upon cycling in the Li-ion half-cell. The material exhibited stable cycling in the voltage range 2-4.5 V, and the number of alkali ions extracted per formula unit was approximately half of the Na stoichiometry value. Using laboratory X-ray absorption spectrometry, we measured operando Fe K-edge X-ray absorption spectra in the first 10 charge-discharge c ...[more]

PMID: 33435502

Similar Datasets

Lithiation Mechanism in High-Entropy Oxides as Anode Materials for Li-Ion Batteries: An Operando XAS Study.

Project description:High-entropy oxides based on transition metals, such as Mg0.2Co0.2Ni0.2Cu0.2Zn0.2O (TM-HEO), have recently drawn special attention as potential anodes in lithium-ion batteries due to high specific capacity and cycling reversibility. However, the lithiation/delithiation mechanism of such systems is still controversial and not clearly addressed. Here, we report on an operando XAS investigation into TM-HEO-based anodes for lithium-ion cells during the first lithiation/delithiation cycle. This material showed a high specific capacity exceeding 600 mAh g-1 at 0.1 C and Coulombic efficiency very close to unity. The combination of functional and advanced spectroscopic studies revealed complex charging mechanisms, developing through the reduction of transition-metal (TM) cations, which triggers the conversion reaction below 1.0 V. The conversion is irreversible and incomplete, leading to the final collapse of the HEO rock-salt structure. Other redox processes are therefore discussed and called to account for the observed cycling behavior of the TM-HEO-based anode. Despite the irreversible phenomena, the HEO cubic structure remains intact for ∼60% of lithiation capacity, so proving the beneficial role of the configuration entropy in enhancing the stability of the HEO rock-salt structure during the redox phenomena.

| S-EPMC8016163 | biostudies-literature

Basic Medium Heterogeneous Solution Synthesis of ?-MnO? Nanoflakes as an Anode or Cathode in Half Cell Configuration (vs. Lithium) of Li-Ion Batteries.

Project description:Nano ?-MnO? is usually synthesized under hydrothermal conditions in acidic medium, which results in materials easily undergoing thermal reduction and offers single crystals often over 100 nm in size. In this study, ?-MnO? built up of inter-grown ultra-small nanoflakes with 10 nm thickness was produced in a rapid two-step procedure starting via partial reduction in solution in basic medium subsequently followed by co-proportionation in thermal treatment. This approach offers phase-pure ?-MnO? doped with potassium (cryptomelane type K0.25Mn?O16 structure) demonstrating considerable chemical and thermal stability. The reaction pathways leading to this new morphology and structure have been discussed. The MnO? electrodes produced from obtained nanostructures were tested as electrodes of lithium ion batteries delivering initial discharge capacities of 968 mAh g-1 for anode (0 to 2.0 V) and 317 mAh g-1 for cathode (1.5 to 3.5 V) at 20 mA g-1 current density. At constant current of 100 mA g-1, stable cycling of anode achieving 660 mAh g-1 and 145 mAh g-1 for cathode after 200 cycles is recorded. Post diagnostic analysis of cycled electrodes confirmed the electrode materials stability and structural properties.

| S-EPMC6116270 | biostudies-literature

Coordination engineering for iron-based hexacyanoferrate as a high-stability cathode for sodium-ion batteries.

Project description:Iron-based hexacyanoferrate (Fe-HCF) are promising cathode materials for sodium-ion batteries (SIBs) due to their unique open-channel structure that facilitates fast ion transport and framework stability. However, practical implementation of SIBs has been hindered by low initial Coulombic efficiency (ICE), poor rate performance, and short lifespan. Herein, we report a coordination engineering to synthesize sodium-rich Fe-HCF as cathodes for SIBs through a uniquely designed 10-kg-scale chemical reactor. Our study systematically investigated the relationship between coordination surroundings and the electrochemical behavior. Building on this understanding, the cathode delivered a reversible capacity of 99.3 mAh g-1 at 5 C (1 C = 100 mA g-1), exceptional rate capability (51 mAh g-1 even at 100 C), long lifespan (over 15,000 times at 50 C), and a high ICE of 92.7%. A full cell comprising the Fe-HCF cathode and hard carbon (HC) anode exhibited an impressive cyclic stability with a high-capacity retention rate of 98.3% over 1,000 cycles. Meanwhile, this material can be readily scaled to the practical levels of yield. The findings underscore the potential of Fe-HCF as cathodes for SIBs and highlight the significance of controlling nucleation and morphology through coordination engineering for a sustainable energy storage system.

| S-EPMC11295058 | biostudies-literature

Y-tube assisted coprecipitation synthesis of iron-based Prussian blue analogues cathode materials for sodium-ion batteries.

Project description:Prussian blue analogues possess numerous advantages as cathode materials for sodium-ion batteries, including high energy density, low cost, sustainability, and straightforward synthesis processes, making them highly promising for practical applications. However, during the synthesis, crystal defects such as vacancies and the incorporation of crystal water can lead to issues such as diminished capacity and suboptimal cycling stability. In the current study, a Y-tube assisted coprecipitation method was used to synthesize iron-based Prussian blue analogues, and the optimized feed flow rate during synthesis contributed to the successful preparation of the material with a formula of Na1.56Fe[Fe(CN)6]0.90□0.10·2.42H2O, representing a low-defect cathode material. This approach cleverly utilizes the Y-tube component to enhance the micro-mixing of materials in the co-precipitation reaction, featuring simplicity, low cost, user-friendly, and the ability to be used in continuous production. Electrochemical performance tests show that the sample retains 69.8% of its capacity after 200 cycles at a current density of 0.5C (1C = 140 mA g-1) and delivers a capacity of 71.9 mA h g-1 at a high rate of 10C. The findings of this research provide important insights for the development of high-performance Prussian blue analogues cathode materials for sodium-ion batteries.

| S-EPMC11019409 | biostudies-literature

Multi-Scale Correlative Tomography of a Li-Ion Battery Composite Cathode.

Project description:Focused ion beam/scanning electron microscopy tomography (FIB/SEMt) and synchrotron X-ray tomography (Xt) are used to investigate the same lithium manganese oxide composite cathode at the same specific spot. This correlative approach allows the investigation of three central issues in the tomographic analysis of composite battery electrodes: (i) Validation of state-of-the-art binary active material (AM) segmentation: Although threshold segmentation by standard algorithms leads to very good segmentation results, limited Xt resolution results in an AM underestimation of 6 vol% and severe overestimation of AM connectivity. (ii) Carbon binder domain (CBD) segmentation in Xt data: While threshold segmentation cannot be applied for this purpose, a suitable classification method is introduced. Based on correlative tomography, it allows for reliable ternary segmentation of Xt data into the pore space, CBD, and AM. (iii) Pore space analysis in the micrometer regime: This segmentation technique is applied to an Xt reconstruction with several hundred microns edge length, thus validating the segmentation of pores within the micrometer regime for the first time. The analyzed cathode volume exhibits a bimodal pore size distribution in the ranges between 0-1 μm and 1-12 μm. These ranges can be attributed to different pore formation mechanisms.

| S-EPMC4960488 | biostudies-literature

High-throughput computational design of cathode coatings for Li-ion batteries.

Project description:Cathode degradation is a key factor that limits the lifetime of Li-ion batteries. To identify functional coatings that can suppress this degradation, we present a high-throughput density functional theory based framework which consists of reaction models that describe thermodynamic and electrochemical stabilities, and acid-scavenging capabilities of materials. Screening more than 130,000 oxygen-bearing materials, we suggest physical and hydrofluoric-acid barrier coatings such as WO3, LiAl5O8 and ZrP2O7 and hydrofluoric-acid scavengers such as Sc2O3, Li2CaGeO4, LiBO2, Li3NbO4, Mg3(BO3)2 and Li2MgSiO4. Using a design strategy to find the thermodynamically optimal coatings for a cathode, we further present optimal hydrofluoric-acid scavengers such as Li2SrSiO4, Li2CaSiO4 and CaIn2O4 for the layered LiCoO2, and Li2GeO3, Li4NiTeO6 and Li2MnO3 for the spinel LiMn2O4 cathodes. These coating materials have the potential to prolong the cycle-life of Li-ion batteries and surpass the performance of common coatings based on conventional materials such as Al2O3, ZnO, MgO or ZrO2.

| S-EPMC5171834 | biostudies-literature

Facilitating Lithium-Ion Diffusion in Layered Cathode Materials by Introducing Li+/Ni2+ Antisite Defects for High-Rate Li-Ion Batteries.

Project description:Li+/Ni2+ antisite defects mainly resulting from their similar ionic radii in the layered nickel-rich cathode materials belong to one of cation disordering scenarios. They are commonly considered harmful to the electrochemical properties, so a minimum degree of cation disordering is usually desired. However, this study indicates that LiNi0.8Co0.15Al0.05O2 as the key material for Tesla batteries possesses the highest rate capability when there is a minor degree (2.3%) of Li+/Ni2+ antisite defects existing in its layered structure. By combining a theoretical calculation, the improvement mechanism is attributed to two effects to decrease the activation barrier for lithium migration: (1) the anchoring of a low fraction of high-valence Ni2+ ions in the Li slab pushes uphill the nearest Li+ ions and (2) the same fraction of low-valence Li+ ions in the Ni slab weakens the repulsive interaction to the Li+ ions at the saddle point.

| S-EPMC6946265 | biostudies-literature

Direct monitoring of trace water in Li-ion batteries using operando fluorescence spectroscopy.

Project description:The direct monitoring of trace water in real time during electrochemical cycles is of vital importance because water impurities are one of the causes of reduced lifetimes and capacity fading in Li-ion batteries. However, the most common Karl-Fischer titration lacks the ability to perform real-time monitoring of trace water while the battery is operating. Here, we demonstrate the use of nanosized coordination polymers as a sensing platform for the rapid and highly sensitive detection of water molecules, which gives a distinguishable turn-on fluorescence (FL) response toward water with a quantifiable detection range from 0 to 1.2% v/v, offering a novel opportunity to monitor trace water during electrochemical cycles. To demonstrate the practical value of our platform, we designed an in situ measurement system using nanosized coordination polymers as an electrolyte additive. Within the platform, the findings indicate that trace water is indeed generated during the first discharge process, in which the FL intensity shows a linear increase over time along with the gradual formation of water. We believe that this strategy provides new insights into the in situ monitoring of complex electrochemical processes, and it may help to pave the way for the development of new operando analytical techniques for lithium-ion batteries.

| S-EPMC5869306 | biostudies-literature

Quantum view of Li-ion high mobility at carbon-coated cathode interfaces.

Project description:Lithium-ion batteries (LIBs) are among the most promising power sources for electric vehicles, portable electronics and smart grids. In LIBs, the cathode is a major bottleneck, with a particular reference to its low electrical conductivity and Li-ion diffusivity. The coating with carbon layers is generally employed to enhance the electrical conductivity and to protect the active material from degradation during operation. Here, we demonstrate that this layer has a primary role in the lithium diffusivity into the cathode nanoparticles. Positron is a useful quantum probe at the electroactive materials/carbon interface to sense the mobility of Li-ion. Broadband electrical spectroscopy demonstrates that only a small number of Li-ions are moving, and that their diffusion strongly depends on the type of carbon additive. Positron annihilation and broadband electrical spectroscopies are crucial complementary tools to investigate the electronic effect of the carbon phase on the cathode performance and Li-ion dynamics in electroactive materials.

| S-EPMC9803833 | biostudies-literature

Hollow Hemispherical Lithium Iron Silicate Synthesized by an Ascorbic Acid-Assisted Hydrothermal Method as a Cathode Material for Li Ion Batteries.

Project description:High-capacity and high-voltage cathode materials are required to meet the increasing demand for energy density in Li ion batteries. Lithium iron silicate (Li2FeSiO4) is a cathode material with a high theoretical capacity of 331 mAh·g-1. However, its poor conductivity and low Li ion diffusion coefficient result in poor capability, hindering practical applications. Morphology has an important influence on the properties of materials, and nanomaterials with hollow structures are widely used in electrochemical devices. Herein, we report a novel hollow hemispherical Li2FeSiO4 synthesized by a template-free hydrothermal method with the addition of ascorbic acid. The hollow hemispherical Li2FeSiO4 consisted of finer particles with a shell thickness of about 80 nm. After carbon coating, the composite was applied as the cathode in Li ion batteries. As a result, the hollow hemispherical Li2FeSiO4/C exhibited a discharge capacity as high as 192 mAh·g-1 at 0.2 C, and the average capacities were 134.5, 115.5 and 93.4 mAh·g-1 at 0.5, 1 and 2 C, respectively. In addition, the capacity increased in the first few cycles and then decayed with further cycling, showing a warm-up like behavior, and after 160 cycles the capacities maintained 114.2, 101.6 and 79.3 mAh·g-1 at 0.5, 1 and 2 C, respectively. Such a method of adding ascorbic acid in the hydrothermal reaction can effectively synthesize hollow hemispherical Li2FeSiO4 with the enhanced electrochemical performance.

| S-EPMC9143007 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data